UCSF

ZINC27881356

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 16 No

Popular Name: 2-(4-pyrrol-1-ylphenyl)acetohydrazide 2-(4-pyrrol-1-ylphenyl)acetohydr…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.03 4.87 -14.79 3 4 0 60 215.256 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOC2-1-E Retina-specific Amine Oxidase, Copper Containing (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.55 Binding ≤ 10μM
AOC3-2-E Amine Oxidase, Copper Containing (cluster #2 Of 2), Eukaryotic Eukaryotes 500 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOC3_BOVIN Q9TTK6 Amine Oxidase, Copper Containing, Bovin 500 0.55 Binding ≤ 1μM
AOC2_HUMAN O75106 Retina-specific Amine Oxidase, Copper Containing, Human 500 0.55 Binding ≤ 1μM
AOC3_BOVIN Q9TTK6 Amine Oxidase, Copper Containing, Bovin 500 0.55 Binding ≤ 10μM
AOC2_HUMAN O75106 Retina-specific Amine Oxidase, Copper Containing, Human 500 0.55 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.